SMILES:
COC(=O)c1ccccc1-c1ccc(COS(=O)(=O)c2ccc(C)cc2)cc1Molecular Processing
Molecular formula
C22H20O5S
Molecular weight
396.46
Exact mass
396.1031
XLogP
4.35
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
106.37
Supplementary Information
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